SMIRKS
[N:1]#[C:2][C:3]1:[C:4]([H:12]):[C:5]([H:13]):[C:6]([H:14]):[C:7]([Cl:8]):[C:9]:1[H:15]>>[H]O[C:2](=O)[C:3]1:[C:4]([H:12]):[C:5]([H:13]):[C:6]([H:14]):[C:7]([Cl:8]):[C:9]:1[H:15].[H][N:1]([H])[H]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E871 - Reaction Operator E
[#7:1]#[#6:2]-[#6:3]>>[#6:2](-[#6:3])(=[#8])-[#8]-[H].[#7:1](-[H])(-[H])-[H]
EVODEX.1-N57 - Reaction Operator N
[#6:2]-[#6:4]#[#7:5]>>[H]-[#8]-[#6:4](=[#8])-[#6:2].[H]-[#7:5](-[H])-[H]
EVODEX.1-Em132 - Reaction Operator Em
[#6:3]-[#6:5]#[#7:6]>>[H]-[#8]-[#6:5](=[#8])-[#6:3].[H]-[#7:6](-[H])-[H]
EVODEX.1-Nm88 - Reaction Operator Nm
[#6:3]-[#6:5]#[#7:6]>>[H]-[#8]-[#6:5](=[#8])-[#6:3].[H]-[#7:6](-[H])-[H]
Source Full Reactions
EVODEX.1-R6559
[N:1]#[C:2][C:3]1:[C:4]([H:12]):[C:5]([H:13]):[C:6]([H:14]):[C:7]([Cl:8]):[C:9]:1[H:15].[H][O:10][H].[H][O:11][H:18]>>[C:2]([C:3]1:[C:4]([H:12]):[C:5]([H:13]):[C:6]([H:14]):[C:7]([Cl:8]):[C:9]:1[H:15])(=[O:10])[O:11][H:18].[H][N:1]([H])[H]